Chemical ID: 5263150

CC(=CCCC(=CCCC(C)(C=C)c1ccc(c(c1)O)O)C)C
Chemical ID:
5263150
Name [?]:
4-(1,5,9-trimethyl-1-vinyl-deca-4,8-dienyl)benzene-1,2-diol
SMILES [?]:
CC(=CCCC(=CCCC(C)(C=C)c1ccc(c(c1)O)O)C)C
InChi [?]:
InChI=1/C21H30O2/c1-6-21(5,18-12-13-19(22)20(23)15-18)14-8-11-17(4)10-7-9-16(2)3/h6,9,11-13,15,22-23H,1,7-8,10,14H2,2-5H3
InChi Info:
AuxInfo=1/0/N:13,1,23,22,11,12,4,8,3,5,7,15,16,9,19,2,6,14,17,18,10,21,20/E:(2,3)/rA:23cCCCCCCCCCCCCCCCCCCCOOCC/rB:s1;d2;s3;s4;s5;w6;s7;s8;s9;s10;s10;d12;s10;s14;d15;s16;d17;d14s18;s18;s17;s6;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H30O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.2629
Area:523.06
Solvation:-2.81362
Coulombic:-37.7951
Bond Count [?]
All:23
Single:17
Double:6
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:314.462
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:6.34
LogP (Chemaxon):6.24

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Descriptor Annotations

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